CID 723083

360056-45-7

Structural Information

Molecular Formula
C5H7N3O2
SMILES
COC(=O)C1=C(C=NN1)N
InChI
InChI=1S/C5H7N3O2/c1-10-5(9)4-3(6)2-7-8-4/h2H,6H2,1H3,(H,7,8)
InChIKey
UYWFTIKDUFKYJS-UHFFFAOYSA-N
Compound name
methyl 4-amino-1H-pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

318
Patents

141.05383 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.061106 126.6
[M+Na]+ 164.043048 135.2
[M-H]- 140.046554 126.3
[M+NH4]+ 159.087653 146.1
[M+K]+ 180.016988 133.9
[M+H-H2O]+ 124.051090 119.8
[M+HCOO]- 186.052031 149.1
[M+CH3COO]- 200.067681 170.8
[M+Na-2H]- 162.028496 131.4
[M]+ 141.05328142 124.9
[M]- 141.05437858 124.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe